3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol

C17H21NO3 — CID 65186149

IUPAC3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-20-15-9-8-13(10-16(15)21-2)17(19)14(11-18)12-6-4-3-5-7-12/h3-10,14,17,19H,11,18H2,1-2H3
InChIKeyGVNXVNNMGRUWPZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds6

About 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol

3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol (PubChem CID 65186149) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
PubChem CID65186149
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-20-15-9-8-13(10-16(15)21-2)17(19)14(11-18)12-6-4-3-5-7-12/h3-10,14,17,19H,11,18H2,1-2H3
InChIKeyGVNXVNNMGRUWPZ-UHFFFAOYSA-N
XLogP2.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
CID 61082848
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol (CID 65186149) is 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol is COc1ccc(C(O)C(CN)c2ccccc2)cc1OC.
What is the InChIKey of 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol?
The InChIKey is GVNXVNNMGRUWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-15-9-8-13(10-16(15)21-2)17(19)14(11-18)12-6-4-3-5-7-12/h3-10,14,17,19H,11,18H2,1-2H3.
What are the key properties of 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol?
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 65186149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).